Geometry & MOs

Info

ID:	310084
PubChem CID:	126574046
Reduced:	BrN2O3C23H35 (1)
Stoich.:	AB2C3D23E35 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-140.59
Dipole, Da:	4.02
IP(EA), eV:	-8.38(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-N-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Br)N2CCC3(CC3)CC2)[C@@H](C(=O)OC(C)C)OC(C)(C)C

DOS

IR

Vibrations